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Aqua(4-bromobenzoato-κO)bis(1,10-phenanthroline-κ(2) N,N′)zinc(II) 4-bromobenzoate 1.5-hydrate
In the title compound, [Zn(C(7)H(4)BrO(2))(C(12)H(8)N(2))(2)(H(2)O)](C(7)H(4)BrO(2))·1.5H(2)O, the Zn(II) atom is coordinated by four N atoms from two chelating 1,10-phenanthroline (phen) ligands, one O atom from a 4-bromobenzoate ligand and one water molecule, completing a distorted ZnN(4)O(2) oc...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009099/ https://www.ncbi.nlm.nih.gov/pubmed/21588801 http://dx.doi.org/10.1107/S160053681003864X |
Sumario: | In the title compound, [Zn(C(7)H(4)BrO(2))(C(12)H(8)N(2))(2)(H(2)O)](C(7)H(4)BrO(2))·1.5H(2)O, the Zn(II) atom is coordinated by four N atoms from two chelating 1,10-phenanthroline (phen) ligands, one O atom from a 4-bromobenzoate ligand and one water molecule, completing a distorted ZnN(4)O(2) octahedral geometry. The two phen ligands exhibit nearly perfect coplanarity (r.m.s. deviations = 0.027 and 0.031 Å), making a dihedral angle of 85.7 (1)°. The mean interplanar distances of 3.36 (2) and 3.41 (3) Å between adjacent phen ligands indicate π–π stacking interactions. The uncoordinated water molecules are partly occupied. One carboxylate O atom and two Br atoms are each disordered over two sites, with occupancy factors of 0.60 and 0.40. In the crystal structure, O—H⋯O and C—H⋯O hydrogen bonds and π–π stacking interactions link the complex cations, uncoordinated 4-bromobenzoate anions and water molecules into a three-dimensional supramolecular network. An intramolecular O—H⋯·O hydrogen bond is observed in the cation. |
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